N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(6-oxidanylnaphthalen-2-yl)sulfonylamino]-1H-indol-3-yl]propanamide

Systemtic Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(6-oxidanylnaphthalen-2-yl)sulfonylamino]-1H-indol-3-yl]propanamide Openeye Name: N-[(1-carbamimidoyl-3-piperidyl)methyl]-3-[2-[(6-hydroxy-2-naphthyl)sulfonylamino]-1H-indol-3-yl]propanamide CAS Name: N-[(1-carbamimidoyl-3-piperidinyl)methyl]-3-[2-[(6-hydroxy-2-naphthalenyl)sulfonylamino]-1H-indol-3-yl]propanamide IUPAC Name: N-[(1-carbamimidoylpiperidin-3-yl)methyl]-3-[2-[(6-hydroxynaphthalen-2-yl)sulfonylamino]-1H-indol-3-yl]propanamide Traditional Name: N-[(1-amidino-3-piperidyl)methyl]-3-[2-[(6-hydroxy-2-naphthyl)sulfonylamino]-1H-indol-3-yl]propionamide Formula: C28H32N6O4S MolecularWeight: 548.65648

Click to see the large picture

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=C(C=C4)C=C(C=C5)O

Isomeric SMILES

C1CC(CN(C1)C(=N)N)CNC(=O)CCC2=C(NC3=CC=CC=C32)NS(=O)(=O)C4=CC5=C(C=C4)C=C(C=C5)O

InChI

InChI=1S/C28H32N6O4S/c29-28(30)34-13-3-4-18(17-34)16-31-26(36)12-11-24-23-5-1-2-6-25(23)32-27(24)33-39(37,38)22-10-8-19-14-21(35)9-7-20(19)15-22/h1-2,5-10,14-15,18,32-33,35H,3-4,11-13,16-17H2,(H3,29,30)(H,31,36)