N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-2-[(3,4-dimethoxyphenyl)sulfonylamino]-3-(1H-indol-3-yl)propionamide Formula: C26H34N6O5S MolecularWeight: 542.65036

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Descriptors Computed from Structure

Canonical SMILES:

COC1=C(C=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4CCCN(C4)C(=N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC(CC2=CNC3=CC=CC=C32)C(=O)NCC4CCCN(C4)C(=N)N)OC

InChI

InChI=1S/C26H34N6O5S/c1-36-23-10-9-19(13-24(23)37-2)38(34,35)31-22(12-18-15-29-21-8-4-3-7-20(18)21)25(33)30-14-17-6-5-11-32(16-17)26(27)28/h3-4,7-10,13,15,17,22,29,31H,5-6,11-12,14,16H2,1-2H3,(H3,27,28)(H,30,33)