N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[(4-iodophenyl)sulfonylamino]-2-naphthalen-1-yl-propanamide; 4-methylbenzenesulfonic acid

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[(4-iodophenyl)sulfonylamino]-2-naphthalen-1-yl-propanamide; 4-methylbenzenesulfonic acid Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-[(4-iodophenyl)sulfonylamino]-2-(1-naphthyl)propanamide; 4-methylbenzenesulfonic acid CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-[(4-iodophenyl)sulfonylamino]-2-(1-naphthalenyl)propanamide; 4-methylbenzenesulfonic acid IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[(4-iodophenyl)sulfonylamino]-2-naphthalen-1-ylpropanamide; 4-methylbenzenesulfonic acid Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-[(4-iodophenyl)sulfonylamino]-2-(1-naphthyl)propionamide; tosylic acid Formula: C33H38IN5O6S2 MolecularWeight: 791.71919

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C1=CC=CC2=CC=CC=C21)(C(=O)NCC3CCCN(C3)C(=N)N)NS(=O)(=O)C4=CC=C(C=C4)I

Isomeric SMILES

CC1=CC=C(C=C1)S(=O)(=O)O.CC(C1=CC=CC2=CC=CC=C21)(C(=O)NCC3CCCN(C3)C(=N)N)NS(=O)(=O)C4=CC=C(C=C4)I

InChI

InChI=1S/C26H30IN5O3S.C7H8O3S/c1-26(23-10-4-8-19-7-2-3-9-22(19)23,31-36(34,35)21-13-11-20(27)12-14-21)24(33)30-16-18-6-5-15-32(17-18)25(28)29;1-6-2-4-7(5-3-6)11(8,9)10/h2-4,7-14,18,31H,5-6,15-17H2,1H3,(H3,28,29)(H,30,33);2-5H,1H3,(H,8,9,10)