2-[(4-tert-butylphenyl)sulfonylamino]-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(4-nitrophenyl)propanamide

Systemtic Name: 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(4-nitrophenyl)propanamide Openeye Name: 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-(4-nitrophenyl)propanamide CAS Name: 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-(4-nitrophenyl)propanamide IUPAC Name: 2-[(4-tert-butylphenyl)sulfonylamino]-N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-(4-nitrophenyl)propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-[(4-tert-butylphenyl)sulfonylamino]-3-(4-nitrophenyl)propionamide Formula: C26H36N6O5S MolecularWeight: 544.66624

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Descriptors Computed from Structure

Canonical SMILES:

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3CCCN(C3)C(=N)N

Isomeric SMILES

CC(C)(C)C1=CC=C(C=C1)S(=O)(=O)NC(CC2=CC=C(C=C2)[N+](=O)[O-])C(=O)NCC3CCCN(C3)C(=N)N

InChI

InChI=1S/C26H36N6O5S/c1-26(2,3)20-8-12-22(13-9-20)38(36,37)30-23(15-18-6-10-21(11-7-18)32(34)35)24(33)29-16-19-5-4-14-31(17-19)25(27)28/h6-13,19,23,30H,4-5,14-17H2,1-3H3,(H3,27,28)(H,29,33)