2-[1-carbamimidoyl-2-[(4-iodophenyl)sulfonylamino]-3-(piperidin-3-ylmethyl)-2H-indol-3-yl]propanamide

Systemtic Name: 2-[1-carbamimidoyl-2-[(4-iodophenyl)sulfonylamino]-3-(piperidin-3-ylmethyl)-2H-indol-3-yl]propanamide Openeye Name: 2-[1-carbamimidoyl-2-[(4-iodophenyl)sulfonylamino]-3-(3-piperidylmethyl)indolin-3-yl]propanamide CAS Name: 2-[1-carbamimidoyl-2-[(4-iodophenyl)sulfonylamino]-3-(3-piperidinylmethyl)-2H-indol-3-yl]propanamide IUPAC Name: 2-[1-carbamimidoyl-2-[(4-iodophenyl)sulfonylamino]-3-(piperidin-3-ylmethyl)-2H-indol-3-yl]propanamide Traditional Name: 2-[1-amidino-2-[(4-iodophenyl)sulfonylamino]-3-(3-piperidylmethyl)indolin-3-yl]propionamide Formula: C24H31IN6O3S MolecularWeight: 610.51081

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Descriptors Computed from Structure

Canonical SMILES:

CC(C(=O)N)C1(C(N(C2=CC=CC=C21)C(=N)N)NS(=O)(=O)C3=CC=C(C=C3)I)CC4CCCNC4

Isomeric SMILES

CC(C(=O)N)C1(C(N(C2=CC=CC=C21)C(=N)N)NS(=O)(=O)C3=CC=C(C=C3)I)CC4CCCNC4

InChI

InChI=1S/C24H31IN6O3S/c1-15(21(26)32)24(13-16-5-4-12-29-14-16)19-6-2-3-7-20(19)31(23(27)28)22(24)30-35(33,34)18-10-8-17(25)9-11-18/h2-3,6-11,15-16,22,29-30H,4-5,12-14H2,1H3,(H2,26,32)(H3,27,28)