[4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone

Systemtic Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone Openeye Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone CAS Name: [4-(1-azepanylsulfonyl)phenyl]-[4-[2-(1-pyrrolidinyl)ethyl]-1-piperazinyl]methanone IUPAC Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-pyrrolidin-1-ylethyl)piperazin-1-yl]methanone Traditional Name: [4-(azepan-1-ylsulfonyl)phenyl]-[4-(2-pyrrolidinoethyl)piperazino]methanone Formula: C23H36N4O3S MolecularWeight: 448.62194

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Descriptors Computed from Structure

Canonical SMILES:

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCN4CCCC4

Isomeric SMILES

C1CCCN(CC1)S(=O)(=O)C2=CC=C(C=C2)C(=O)N3CCN(CC3)CCN4CCCC4

InChI

InChI=1S/C23H36N4O3S/c28-23(26-19-17-25(18-20-26)16-15-24-11-5-6-12-24)21-7-9-22(10-8-21)31(29,30)27-13-3-1-2-4-14-27/h7-10H,1-6,11-20H2