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

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-(naphthalen-2-ylsulfonylamino)-1H-indol-3-yl]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-[2-(2-naphthylsulfonylamino)-1H-indol-3-yl]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-[2-(2-naphthalenylsulfonylamino)-1H-indol-3-yl]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-(naphthalen-2-ylsulfonylamino)-1H-indol-3-yl]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-[2-(2-naphthylsulfonylamino)-1H-indol-3-yl]propionamide Formula: C28H32N6O3S MolecularWeight: 532.65708

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Descriptors Computed from Structure

Canonical SMILES:

C1CC(CN(C1)C(=N)N)CNC(=O)CCC2=C(NC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)CCC2=C(NC3=CC=CC=C32)NS(=O)(=O)C4=CC5=CC=CC=C5C=C4

InChI

InChI=1S/C28H32N6O3S/c29-28(30)34-15-5-6-19(18-34)17-31-26(35)14-13-24-23-9-3-4-10-25(23)32-27(24)33-38(36,37)22-12-11-20-7-1-2-8-21(20)16-22/h1-4,7-12,16,19,32-33H,5-6,13-15,17-18H2,(H3,29,30)(H,31,35)