[2,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrrol-3-yl]-pyrrolidin-1-yl-methanone

Systemtic Name: [2,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrrol-3-yl]-pyrrolidin-1-yl-methanone Openeye Name: [2,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrrol-3-yl]-pyrrolidin-1-yl-methanone CAS Name: [2,5-dimethyl-4-[(4-phenyl-1-piperazinyl)sulfonyl]-1H-pyrrol-3-yl]-(1-pyrrolidinyl)methanone IUPAC Name: [2,5-dimethyl-4-(4-phenylpiperazin-1-yl)sulfonyl-1H-pyrrol-3-yl]-pyrrolidin-1-ylmethanone Traditional Name: [2,5-dimethyl-4-(4-phenylpiperazino)sulfonyl-1H-pyrrol-3-yl]-pyrrolidino-methanone Formula: C21H28N4O3S MolecularWeight: 416.53702

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Descriptors Computed from Structure

Canonical SMILES:

CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N4CCCC4

Isomeric SMILES

CC1=C(C(=C(N1)C)S(=O)(=O)N2CCN(CC2)C3=CC=CC=C3)C(=O)N4CCCC4

InChI

InChI=1S/C21H28N4O3S/c1-16-19(21(26)24-10-6-7-11-24)20(17(2)22-16)29(27,28)25-14-12-23(13-15-25)18-8-4-3-5-9-18/h3-5,8-9,22H,6-7,10-15H2,1-2H3