N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide; sulfurous acid

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide; sulfurous acid Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(5-methyl-1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propanamide; sulfurous acid CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(5-methyl-1H-indol-3-yl)-2-(2-naphthalenylsulfonylamino)propanamide; sulfurous acid IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(5-methyl-1H-indol-3-yl)-2-(naphthalen-2-ylsulfonylamino)propanamide; sulfurous acid Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-(5-methyl-1H-indol-3-yl)-2-(2-naphthylsulfonylamino)propionamide; sulfurous acid Formula: C29H36N6O6S2 MolecularWeight: 628.76274

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Descriptors Computed from Structure

Canonical SMILES:

CC1=CC2=C(C=C1)NC=C2CC(C(=O)NCC3CCCN(C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.OS(=O)O

Isomeric SMILES

CC1=CC2=C(C=C1)NC=C2CC(C(=O)NCC3CCCN(C3)C(=N)N)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4.OS(=O)O

InChI

InChI=1S/C29H34N6O3S.H2O3S/c1-19-8-11-26-25(13-19)23(17-32-26)15-27(28(36)33-16-20-5-4-12-35(18-20)29(30)31)34-39(37,38)24-10-9-21-6-2-3-7-22(21)14-24;1-4(2)3/h2-3,6-11,13-14,17,20,27,32,34H,4-5,12,15-16,18H2,1H3,(H3,30,31)(H,33,36);(H2,1,2,3)