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

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1H-indol-3-yl]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1H-indol-3-yl]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1H-indol-3-yl]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-1H-indol-3-yl]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-[2-[(3,4-dimethoxyphenyl)sulfonylamino]-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)NC2=C(C3=CC=CC=C3N2)CCC(=O)NCC4CCCN(C4)C(=N)N)OC

Isomeric SMILES

COC1=C(C=C(C=C1)S(=O)(=O)NC2=C(C3=CC=CC=C3N2)CCC(=O)NCC4CCCN(C4)C(=N)N)OC

InChI

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