1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-pyrrolidin-1-yl-indole-2,3-dione

Systemtic Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-pyrrolidin-1-yl-indole-2,3-dione Openeye Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-pyrrolidin-1-yl-indoline-2,3-dione CAS Name: 1-[[4-(1-azepanylsulfonyl)-1-piperazinyl]methyl]-6-(1-pyrrolidinyl)indole-2,3-dione IUPAC Name: 1-[[4-(azepan-1-ylsulfonyl)piperazin-1-yl]methyl]-6-pyrrolidin-1-ylindole-2,3-dione Traditional Name: 1-[[4-(azepan-1-ylsulfonyl)piperazino]methyl]-6-pyrrolidino-isatin Formula: C23H33N5O4S MolecularWeight: 475.60422

Click to see the large picture

Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CN3C4=C(C=CC(=C4)N5CCCC5)C(=O)C3=O

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)N2CCN(CC2)CN3C4=C(C=CC(=C4)N5CCCC5)C(=O)C3=O

InChI

InChI=1S/C23H33N5O4S/c29-22-20-8-7-19(25-9-5-6-10-25)17-21(20)28(23(22)30)18-24-13-15-27(16-14-24)33(31,32)26-11-3-1-2-4-12-26/h7-8,17H,1-6,9-16,18H2